1964-0012 Screening compound: 4-(3-nitrophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine

1964-0012 Screening compound: 4-(3-nitrophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine
1964-0012 Screening compound: 4-(3-nitrophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1964-0012
4-(3-nitrophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1964-0012

Molecular Formula

C12H11N3O2S (C12 H11 N3 O2 S)

Compound Name

4-(3-nitrophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine

IUPAC name

4-(3-nitrophenyl)-N-(prop-2-en-1-yl)-13-thiazol-2-amine

SMILES

C=CCNc1nc(-c2cc([N+]([O-])=O)ccc2)cs1

InChI

InChI=1S/C12H11N3O2S/c1-2-6-13-12-14-11(8-18-12)9-4-3-5-10(7-9)15(16)17/h2-5,7-8H,1,6H2,(H,13,14)

InChI Key

DNZBHJSDYPRAHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00439352

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

261.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.671

Distribution Coefficient, logD

3.671

Water Solubility, LogSw

-4.05

Polar Surface Area

53.742

Acid Dissociation Constant (pKa)

19.67

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1964-0012 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1964-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1964-0012?
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What is the minimum amount of 1964-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1964-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1964-0012
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1964-0012 available by request